    Blake J F (2000). Chemoinformatics—predicting the physicochemical properties of ‘drug-like’ molecules. Curr Opi Biotech. 11: 104-107.    Ertl P et al. (2000). Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties. Med Chem. 43: 3714-3717.    Ertl P et al. (2003). Web-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis. SAR and QSAR in Environmental Research. 14: 321-328.    Helson H E (1999). Structure diagram generation. Edited by Lipkowitz KB & Boyd DB. Rev Comput Chem. 313-398.    Hodgson J (2001). ADMET—turning chemicals into drugs. Nature Biotech. 19: 722-726.    Kubinyi K J (2002). Chemical similarity and biological activities. Baz Chem Soc. 13(6): 717-726.    Lipinski C A et al. (1997). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev. 23: 3-25.    Lombardo F et al. (2003). In silico ADME prediction: Data, models, facts and myths. Mini Reviews in Medicinal Chemistry. 3: 861-875.    Pajouhesh H & Lenz GR (2005). Medicinal chemical properties of successful central nervous system drugs. NeuroRx. 2: 541-553.    Stenberg P et al. (2001). Experimental and computational screening models for the prediction of intestinal drug absorption. Med Chem. 44: 1927-1937.    Subramanian K (2005). truPK—Human pharmacokinetic models for quantitative ADME prediction. Expert Opin Drug Metab Toxicol. 1(3): 555-564.    Van de Waterbeemd H et al. (2001). Property-based design: optimization of drug absorption and pharmacokinetics. J Med Chem. 44: 1313-1333.    Weininger D (1988). SMILES, a chemical language and information system. Introduction to methodology and encoding rules. J Chem Inf Comput Sci. 28: 31-36.